SCHEMBL14640897

SCHEMBL14640897

CCNC(=O)c1ccc(-c2nc(COC3CCNCC3)no2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.46
SPHK2 Q9NRA0 3/20 0.45
HDAC6 Q9UBN7 2/20 0.42
HDAC4 P56524 1/20 0.42
SMPD1 P17405 3/20 0.41
MCHR1 Q99705 1/20 0.40
USP7 Q93009 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14640895 0.92 SPHK1 (0.48) SPHK1SPHK2HDAC6HDAC4SMPD1
SCHEMBL4416417 0.82 GPR119 (0.55) SPHK2HDAC6HDAC4
SCHEMBL14640892 0.82 USP7 (0.38) SPHK1SPHK2HDAC6HDAC4SMPD1
SCHEMBL27742206 0.80 SPHK1 (0.41) SPHK1SPHK2SMPD1USP7
SCHEMBL14640893 0.80 SPHK1 (0.49) SPHK1SPHK2HDAC6HDAC4MCHR1
SCHEMBL14640649 0.80 USP7 (0.43) USP7
SCHEMBL14640693 0.79 SPHK1 (0.45) SPHK1SPHK2HDAC4USP7
SCHEMBL4414400 0.78 USP7 (0.41) USP7
SCHEMBL14640816 0.76 USP7 (0.41) USP7
SCHEMBL4424803 0.76 SPHK1 (0.46) SPHK1SPHK2HDAC6HDAC4SMPD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007003960-A1 GPCR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 WO disclosed